That won't be necessary for now. As Prof Case said, you could go ahead with
this.
On Wednesday, July 17, 2019, Sadaf Rani <sadafrani6.gmail.com> wrote:
> Hi David
> thank you for your answer.
> How can I redefine residues? Could you please suggest me?
>
> yes I used crystal structure of ligand and then added hydrogens.
>
>
> thank you
>
> Sadaf
>
>
> On Tue, Jul 16, 2019 at 12:34 PM David A Case <david.case.rutgers.edu>
> wrote:
>
> > On Mon, Jul 15, 2019, Sadaf Rani wrote:
> >
> > >(Residue 1: GLN, Nonterminal, was not found in name map.)
> >
> > This just means that you did not redefine what "GLN" means.
> >
> > >Warning: Close contact of 1.285552 angstroms between .R<NVAL 27>.A<H1 2>
> > >and .R<GLN 28>.A<H 2>
> >
> > It is not uncommon to get close contacts when you build hydrogens onto
> > crystal structures -- (not sure if that is what was done here are not.)
> > Since all these contacts are greater than 1 Å, they will probably go
> > away upon an initial minimization.
> >
> >
> > Basically, it looks like you should just proceed.
> >
> > ...dac
> >
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--
Best Regards
Elvis Martis
Mumbai.
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Received on Tue Jul 16 2019 - 20:00:03 PDT
